| SpectraBase Spectrum ID |
JFd8wrAPtR |
| Name |
8-[3-(Phenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octane-3-ethanol, dihydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.156489203 u |
| Formula |
C23H31Cl2N3OS |
| InChI |
InChI=1S/C23H29N3OS.2ClH/c27-15-14-24-16-18-10-11-19(17-24)25(18)12-5-13-26-20-6-1-3-8-22(20)28-23-9-4-2-7-21(23)26;;/h1-4,6-9,18-19,27H,5,10-17H2;2*1H |
| InChIKey |
VYIDEKCKRBYLPW-UHFFFAOYSA-N |
| Molecular Weight |
468.487 g/mol |
| SMILES |
Cl.OCCN1CC2N(CCCN3C4=C(SC5=C3C=CC=C5)C=CC=C4)C(C1)CC2.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.970865 |
![8-[3-(Phenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octane-3-ethanol, dihydrochloride](/api/spectrum/JFd8wrAPtR/structure.png?h=300&w=458 "8-[3-(Phenothiazin-10-yl)propyl]-3,8-diazabicyclo[3.2.1]octane-3-ethanol, dihydrochloride")
